N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-[3-[2-(2-thienyl)ethynyl]anilino]acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-[3-[2-(2-thienyl)ethynyl]anilino]acetamide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C26H27N3O3S2/c1-20-10-13-24(34(31,32)29-14-3-2-4-15-29)18-25(20)28-26(30)19-27-22-8-5-7-21(17-22)11-12-23-9-6-16-33-23/h5-10,13,16-18,27H,2-4,14-15,19H2,1H3,(H,28,30)